3-(dimethoxyphosphinothioylsulfanylmethyl)-4aH-1,2,3-benzotriazin-3-ium-4-one

Systemtic Name: 3-(dimethoxyphosphinothioylsulfanylmethyl)-4aH-1,2,3-benzotriazin-3-ium-4-one Openeye Name: 3-(dimethoxyphosphinothioylsulfanylmethyl)-4aH-1,2,3-benzotriazin-3-ium-4-one CAS Name: 3-[(dimethoxyphosphinothioylthio)methyl]-4aH-1,2,3-benzotriazin-3-ium-4-one IUPAC Name: 3-(dimethoxyphosphinothioylsulfanylmethyl)-4aH-1,2,3-benzotriazin-3-ium-4-one Traditional Name: 3-[(dimethoxythiophosphorylthio)methyl]-4aH-1,2,3-benzotriazin-3-ium-4-one Formula: C10H13N3O3PS2+ MolecularWeight: 318.332281

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Descriptors Computed from Structure

Canonical SMILES:

COP(=S)(OC)SC[N+]1=NN=C2C=CC=CC2C1=O

Isomeric SMILES

COP(=S)(OC)SC[N+]1=NN=C2C=CC=CC2C1=O

InChI

InChI=1S/C10H13N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6,8H,7H2,1-2H3/q+1